SCHEMBL8780217

SCHEMBL8780217

C=C(C)C(=O)N[N+](C)(C)CCC.C=C(C)C(=O)OCCS(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7945238 0.79 TSHR (0.32) TSHR
SCHEMBL23607566 0.79 THRB (0.50) TSHRTHRB
SCHEMBL1876760 0.78 CHRM5 (0.49) TSHRTHRB
Potassium Ion SCHEMBL18140214 0.78 THRB (0.48) TSHRTHRB
SCHEMBL434885 0.78 THRB (0.48) TSHRTHRB
SCHEMBL25286189 0.78 THRB (0.48) TSHRTHRB
Lithium Ion SCHEMBL1255355 0.78 THRB (0.48) TSHRTHRB
SCHEMBL34095 0.78 TGFBR1 (0.33)
SCHEMBL9135367 0.77 BBOX1 (0.40) TSHRTHRB
SCHEMBL9188552 0.76 ALDH1A1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479245-B1 Absorbent polymer PHILLIPS PETROLEUM CO (US) 1997-03-05 EP disclosed